Re: AMBER: chemical potential

From: David A. Case <case.scripps.edu>
Date: Wed, 30 Jul 2003 09:31:34 -0700

On Wed, Jul 30, 2003, Petrodler.aol.com wrote:

> I think it is possible to calculate the chemical
> potential by the Gibbs Ensemble Monte Carlo Method.

This is certianly possible, but there is no routine inside Amber to
automatically carry this out; you would have to do some programming.

...good luck...dac 

-- 
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David A. Case                     |  e-mail:      case.scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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Received on Wed Jul 30 2003 - 17:53:02 PDT
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